N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide

C18H17FN2O2S2 — CID 15676049

IUPACN-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C18H17FN2O2S2/c1-12(17-11-24-18(20-17)21-25(2,22)23)14-8-9-15(16(19)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)
InChIKeyVZLWWHYCXYBZNX-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.47
Rot. Bonds5

About N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide

N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 15676049) has the molecular formula C18H17FN2O2S2 and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID15676049
Molecular FormulaC18H17FN2O2S2
Molecular Weight376.48 g/mol
Exact Mass376.07
IUPAC NameN-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C18H17FN2O2S2/c1-12(17-11-24-18(20-17)21-25(2,22)23)14-8-9-15(16(19)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)
InChIKeyVZLWWHYCXYBZNX-UHFFFAOYSA-N
XLogP4.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide (CID 15676049) is N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide is CC(c1ccc(-c2ccccc2)c(F)c1)c1csc(NS(C)(=O)=O)n1.
What is the InChIKey of N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is VZLWWHYCXYBZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S2/c1-12(17-11-24-18(20-17)21-25(2,22)23)14-8-9-15(16(19)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21).
What are the key properties of N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide?
N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 15676049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).